SCHEMBL11051248

SCHEMBL11051248

CC(O)C=C(C#N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
CISD1 Q9NZ45 1/20 0.41
SLC16A3 O15427 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
SLC16A1 P53985 1/20 0.41
GPR35 Q9HC97 1/20 0.41
TP53 P04637 1/20 0.38
EGFR P00533 3/20 0.37
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22246044 0.84 KDM4E (0.42) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL15440 0.84 KDM4E (0.42) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL15441 0.84 KDM4E (0.42) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL541123 0.80 KDM4E (0.40) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL13696929 0.78 KDM4E (0.39) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL2402354 0.78 KDM4E (0.36) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL448846 0.78 KDM4E (0.39) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL7552150 0.77 KDM4E (0.38) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
SCHEMBL2404080 0.77 KDM4E (0.39) KDM4ECISD1SLC16A3ALDH1A1CYP3A4
Lactic Acid SCHEMBL29113122 0.77 TP53 (0.44) KDM4ECISD1SLC16A3ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431790-A REACTION PRODUCT OF POLYOXYALKYLENEPOLYAMINE, HYDROXY-ACRYLIC DERIVATIVE, EPOXIDE TEXACO INC. (US) 1984-02-14 US disclosed